2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine

C18H25NOS — CID 115842505

IUPAC2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(Cc2ccc(CC)s2)NC)c1
InChIInChI=1S/C18H25NOS/c1-4-11-20-15-8-6-7-14(12-15)18(19-3)13-17-10-9-16(5-2)21-17/h6-10,12,18-19H,4-5,11,13H2,1-3H3
InChIKeyZLKHFGLNQUQEEB-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.60
Rot. Bonds8

About 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine

2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine (PubChem CID 115842505) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
PubChem CID115842505
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(Cc2ccc(CC)s2)NC)c1
InChIInChI=1S/C18H25NOS/c1-4-11-20-15-8-6-7-14(12-15)18(19-3)13-17-10-9-16(5-2)21-17/h6-10,12,18-19H,4-5,11,13H2,1-3H3
InChIKeyZLKHFGLNQUQEEB-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 62605862
[2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191718
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019303
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-(3-ethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 62606842
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
CID 62345185
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 104996199
2-(5-ethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylethanamine
CID 63097564

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine (CID 115842505) is 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(Cc2ccc(CC)s2)NC)c1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
The InChIKey is ZLKHFGLNQUQEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-4-11-20-15-8-6-7-14(12-15)18(19-3)13-17-10-9-16(5-2)21-17/h6-10,12,18-19H,4-5,11,13H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 115842505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).